2-(2-ethyl-1,2,4-triazol-3-yl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine

C14H17N5S — CID 81144261

IUPAC2-(2-ethyl-1,2,4-triazol-3-yl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine
SMILESCCn1ncnc1CC(NC)c1cnc2ccsc2c1
InChIInChI=1S/C14H17N5S/c1-3-19-14(17-9-18-19)7-12(15-2)10-6-13-11(16-8-10)4-5-20-13/h4-6,8-9,12,15H,3,7H2,1-2H3
InChIKeySJJYMMXFLLEYIW-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.41
Rot. Bonds5

About 2-(2-ethyl-1,2,4-triazol-3-yl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine

2-(2-ethyl-1,2,4-triazol-3-yl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine (PubChem CID 81144261) has the molecular formula C14H17N5S and a molecular weight of 287.39 g/mol. Its IUPAC name is 2-(2-ethyl-1,2,4-triazol-3-yl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine.

Molecular Properties

Compound Name2-(2-ethyl-1,2,4-triazol-3-yl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine
PubChem CID81144261
Molecular FormulaC14H17N5S
Molecular Weight287.39 g/mol
Exact Mass287.12
IUPAC Name2-(2-ethyl-1,2,4-triazol-3-yl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine
SMILESCCn1ncnc1CC(NC)c1cnc2ccsc2c1
InChIInChI=1S/C14H17N5S/c1-3-19-14(17-9-18-19)7-12(15-2)10-6-13-11(16-8-10)4-5-20-13/h4-6,8-9,12,15H,3,7H2,1-2H3
InChIKeySJJYMMXFLLEYIW-UHFFFAOYSA-N
XLogP2.41
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2-ethyl-1,2,4-triazol-3-yl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 81153919
2-(4-chlorophenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 81143973
N-methyl-2-(4-methylphenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 81143698
N-methyl-2-propoxy-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 81144162
2-(4-bromophenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 81143696
N-methyl-2-(2-methylphenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 81143207
N,3-dimethyl-1-thieno[3,2-b]pyridin-6-ylhexan-1-amine
CID 81143501
3-[2-(methylamino)-2-thieno[3,2-b]pyridin-6-ylethyl]pyridin-2-amine
CID 81143119
2-(3-chloro-4-fluorophenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 103040348
2-(4-bromo-2-fluorophenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 81152886
2-(2-chloro-5-fluorophenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 102619203
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)-N-methylethanamine
CID 105001978

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-1,2,4-triazol-3-yl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine?
The IUPAC name of 2-(2-ethyl-1,2,4-triazol-3-yl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine (CID 81144261) is 2-(2-ethyl-1,2,4-triazol-3-yl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine.
What is the SMILES notation for 2-(2-ethyl-1,2,4-triazol-3-yl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine?
The canonical SMILES for 2-(2-ethyl-1,2,4-triazol-3-yl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine is CCn1ncnc1CC(NC)c1cnc2ccsc2c1.
What is the InChIKey of 2-(2-ethyl-1,2,4-triazol-3-yl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine?
The InChIKey is SJJYMMXFLLEYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5S/c1-3-19-14(17-9-18-19)7-12(15-2)10-6-13-11(16-8-10)4-5-20-13/h4-6,8-9,12,15H,3,7H2,1-2H3.
What are the key properties of 2-(2-ethyl-1,2,4-triazol-3-yl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine?
2-(2-ethyl-1,2,4-triazol-3-yl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine has a molecular weight of 287.39 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-1,2,4-triazol-3-yl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine is sourced from PubChem (CID 81144261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).